SCHEMBL6356795

SCHEMBL6356795

COC(=O)c1ccc(C(CC(C)C)NC(=O)OCc2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.51
CTSS P25774 3/20 0.48
CTSL P07711 3/20 0.48
CTSB P07858 3/20 0.48
AAK1 Q2M2I8 3/20 0.47
ATM Q13315 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4678519 0.93 CTSK (0.53) CTSKCTSSCTSLCTSBAAK1
SCHEMBL7275095 0.81 CTSK (0.50) CTSKCTSSCTSLCTSBATM
SCHEMBL7275090 0.81 CTSK (0.50) CTSKCTSSCTSLCTSBATM
SCHEMBL7275098 0.81 CTSK (0.50) CTSKCTSSCTSLCTSBATM
SCHEMBL602597 0.79 ATM (0.56) CTSKCTSSCTSLCTSBATM
SCHEMBL4674921 0.75 CTSK (0.65) CTSKCTSSCTSLCTSB
SCHEMBL4674918 0.75 CTSK (0.65) CTSKCTSSCTSLCTSB
SCHEMBL10884431 0.74 CTSK (0.72) CTSKCTSSCTSLCTSB
SCHEMBL7428217 0.74 CTSK (0.54) CTSKCTSSCTSLCTSBAAK1
SCHEMBL25764435 0.74 TDP1 (0.50)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS CTSK 8/4885CTSS 3/4885CTSL 17/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.